disodium bis(4-(1H-indol-2-yl)butanoate)

C24H24N2Na2O4 — CID 141404952

IUPACdisodium bis(4-(1H-indol-2-yl)butanoate)
SMILESO=C([O-])CCCc1cc2ccccc2[nH]1.O=C([O-])CCCc1cc2ccccc2[nH]1.[Na+].[Na+]
InChIInChI=1S/2C12H13NO2.2Na/c2*14-12(15)7-3-5-10-8-9-4-1-2-6-11(9)13-10;;/h2*1-2,4,6,8,13H,3,5,7H2,(H,14,15);;/q;;2*+1/p-2
InChIKeyLRCMACQLLMWGNX-UHFFFAOYSA-L
MW450.45 g/mol
LogP-3.51
Rot. Bonds8

About disodium bis(4-(1H-indol-2-yl)butanoate)

disodium bis(4-(1H-indol-2-yl)butanoate) (PubChem CID 141404952) has the molecular formula C24H24N2Na2O4 and a molecular weight of 450.45 g/mol. Its IUPAC name is disodium bis(4-(1H-indol-2-yl)butanoate).

Molecular Properties

Compound Namedisodium bis(4-(1H-indol-2-yl)butanoate)
PubChem CID141404952
Molecular FormulaC24H24N2Na2O4
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Namedisodium bis(4-(1H-indol-2-yl)butanoate)
SMILESO=C([O-])CCCc1cc2ccccc2[nH]1.O=C([O-])CCCc1cc2ccccc2[nH]1.[Na+].[Na+]
InChIInChI=1S/2C12H13NO2.2Na/c2*14-12(15)7-3-5-10-8-9-4-1-2-6-11(9)13-10;;/h2*1-2,4,6,8,13H,3,5,7H2,(H,14,15);;/q;;2*+1/p-2
InChIKeyLRCMACQLLMWGNX-UHFFFAOYSA-L
XLogP-3.51
TPSA111.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 5-3.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1H-indol-2-yl)octanoic acid
CID 54343320
4-(1H-indol-2-yl)butan-2-one
CID 10954278
4-(1H-indol-2-yl)butanoic acid;1-methylcyclopropene
CID 174808423
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
4-(1H-indol-2-yl)butylboronic acid
CID 67682562
2-(4-methylpentyl)-1H-indole
CID 18761636
5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide
CID 11673936
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
2-(2-fluoroethyl)-1H-indole
CID 142633825
2-(4-fluoropentyl)-1H-indole
CID 170987599

Frequently Asked Questions

What is the IUPAC name of disodium bis(4-(1H-indol-2-yl)butanoate)?
The IUPAC name of disodium bis(4-(1H-indol-2-yl)butanoate) (CID 141404952) is disodium bis(4-(1H-indol-2-yl)butanoate).
What is the SMILES notation for disodium bis(4-(1H-indol-2-yl)butanoate)?
The canonical SMILES for disodium bis(4-(1H-indol-2-yl)butanoate) is O=C([O-])CCCc1cc2ccccc2[nH]1.O=C([O-])CCCc1cc2ccccc2[nH]1.[Na+].[Na+].
What is the InChIKey of disodium bis(4-(1H-indol-2-yl)butanoate)?
The InChIKey is LRCMACQLLMWGNX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H13NO2.2Na/c2*14-12(15)7-3-5-10-8-9-4-1-2-6-11(9)13-10;;/h2*1-2,4,6,8,13H,3,5,7H2,(H,14,15);;/q;;2*+1/p-2.
What are the key properties of disodium bis(4-(1H-indol-2-yl)butanoate)?
disodium bis(4-(1H-indol-2-yl)butanoate) has a molecular weight of 450.45 g/mol, XLogP of -3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(4-(1H-indol-2-yl)butanoate) is sourced from PubChem (CID 141404952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).